Penipanoid A
AlkaPlorer ID: AK032086
Synonym: None
IUPAC Name: 2-[5-[(4-hydroxyphenyl)methyl]-1,2,4-triazol-1-yl]benzoic acid
Structure
SMILES: O=C(O)C1=CC=CC=C1N1N=CN=C1CC1=CC=C(O)C=C1
InChI: InChI=1S/C16H13N3O3/c20-12-7-5-11(6-8-12)9-15-17-10-18-19(15)14-4-2-1-3-13(14)16(21)22/h1-8,10,20H,9H2,(H,21,22)
InChIKey: OLKCKDFOTMJWNW-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Penicillium paneum | Penicillium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 295.29799999999994
TPSA？: 88.24
MolLogP？: 2.2619
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Alternaria brassicae | Alternaria brassicae | Activity | nan | None | 10.1021/np200037z |
| Aspergillus niger | Aspergillus niger | Activity | nan | None | 10.1021/np200037z |
| Botryosphaeria berengeriana | Botryosphaeria berengeriana | Activity | nan | None | 10.1021/np200037z |
| Escherichia coli | Escherichia coli | Activity | nan | None | 10.1021/np200037z |
| Fusarium oxysporum f. sp. vasinfectum | Fusarium oxysporum f. sp. vasinfectum | Activity | nan | None | 10.1021/np200037z |
| Homo sapiens | SMMC-7721 | IC50 | 54200.0 | nM | 10.1021/np200037z |
| Staphylococcus aureus | Staphylococcus aureus | Activity | nan | None | 10.1021/np200037z |
| None | Molecular identity unknown | Activity | nan | None | 10.1021/np200037z |